cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine

C16H23FN2 — CID 134459091

IUPACcis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine
SMILESCN=CC1C[C@@H](CC[C@@H]1N(C)C)C2=CC=CC=C2F
InChIInChI=1S/C16H23FN2/c1-18-11-13-10-12(8-9-16(13)19(2)3)14-6-4-5-7-15(14)17/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13?,16+/m1/s1
InChIKeyRJGBYRZAROMIKZ-LRRQEPCHSA-N
MW262.37 g/mol
LogP2.70
Rot. Bonds3

About cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine

cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine (PubChem CID 134459091) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine
PubChem CID134459091
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Namecis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine
SMILESCN=CC1C[C@@H](CC[C@@H]1N(C)C)C2=CC=CC=C2F
InChIInChI=1S/C16H23FN2/c1-18-11-13-10-12(8-9-16(13)19(2)3)14-6-4-5-7-15(14)17/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13?,16+/m1/s1
InChIKeyRJGBYRZAROMIKZ-LRRQEPCHSA-N
XLogP2.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity303

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine (CID 134459091) is cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine is CN=CC1C[C@@H](CC[C@@H]1N(C)C)C2=CC=CC=C2F.
What is the InChIKey of cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine?
The InChIKey is RJGBYRZAROMIKZ-LRRQEPCHSA-N. The full InChI is InChI=1S/C16H23FN2/c1-18-11-13-10-12(8-9-16(13)19(2)3)14-6-4-5-7-15(14)17/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13?,16+/m1/s1.
What are the key properties of cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine?
cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine has a molecular weight of 262.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-4-(2-fluorophenyl)-N,N-dimethyl-2-(methyliminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 134459091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).